Record Information |
---|
Version | 4.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2005-11-16 15:48:42 UTC |
---|
Update Date | 2017-12-20 20:29:34 UTC |
---|
HMDB ID | HMDB0001268 |
---|
Secondary Accession Numbers | - HMDB0001428
- HMDB01268
- HMDB01428
|
---|
Metabolite Identification |
---|
Common Name | 4-Fumarylacetoacetic acid |
---|
Description | Fumarylacetoacetate is an intermediate in the metabolism of tyrosine. Fumarylacetoacetate hydrolase (FAH) is an enzyme which catalyzes the hydrolysis of 4-fumarylacetoacetate into fumarate and acetoacetate. FAH is the last enzyme in the tyrosine catabolism pathway. FAH deficiency is associated with Type 1 hereditary tyrosinemia. |
---|
Structure | |
---|
Synonyms | Value | Source |
---|
Fumarylacetoacetone | ChEBI | 4-Fumarylacetoacetate | Generator | (e)-4,6-dioxo-2-Octenedioate | HMDB | (e)-4,6-dioxo-2-Octenedioic acid | HMDB | 4-Fumaryl-acetoacetate | HMDB | Fumarylacetoacetate | HMDB |
|
---|
Chemical Formula | C8H8O6 |
---|
Average Molecular Weight | 200.1455 |
---|
Monoisotopic Molecular Weight | 200.032087988 |
---|
IUPAC Name | (2E)-4,6-dioxooct-2-enedioic acid |
---|
Traditional Name | 4-fumarylacetoacetic acid |
---|
CAS Registry Number | 28613-33-4 |
---|
SMILES | OC(=O)CC(=O)CC(=O)\C=C\C(O)=O |
---|
InChI Identifier | InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+ |
---|
InChI Key | GACSIVHAIFQKTC-OWOJBTEDSA-N |
---|
Chemical Taxonomy |
---|
Description | This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Keto acids and derivatives |
---|
Sub Class | Medium-chain keto acids and derivatives |
---|
Direct Parent | Medium-chain keto acids and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Medium-chain keto acid
- Beta-keto acid
- 1,3-diketone
- Beta-hydroxy ketone
- Dicarboxylic acid or derivatives
- Unsaturated fatty acid
- 1,3-dicarbonyl compound
- Fatty acyl
- Enone
- Acryloyl-group
- Alpha,beta-unsaturated ketone
- Ketone
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
|
Disposition | Route of exposure: Source: Biological location: |
---|
Process | Naturally occurring process: |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | |
---|